Molecule FYI-1007628

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A

Molecule Summary:

ID: FYI-1007628
Names:
InChIKey: BCJOBVWKIGRZCW-UHFFFAOYSA-N
SMILES: CCCCCCc1ccc(C)cc1

Received at FYIcenter.com on: 2024-03-06

Molecule ID: FYI-1007628 Edit

Molecule Structure InChIKey: BCJOBVWKIGRZCW-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCc1ccc(C)cc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1007628
FYIcenter.com

 13 13  0  0  0  0  0  0  0  0999 V2000
    3.8568   10.9851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7454   10.1168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9417    8.7201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8303    7.8518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0266    6.4551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9151    5.5868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1114    4.1901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1963    1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4191    3.6617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3507    2.3801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5040    1.3967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7003    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  7  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 12  9  1  0  0  0  0
 13 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007628-3D
FYIcenter.com

 33 33  0     0  0  0  0  0  0999 V2000
    2.7379   -0.0932   -0.6175 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3210   -0.0077   -0.0470 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7900    0.0291    0.4860 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2701   -0.0962   -1.1558 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2060   -0.0226   -0.0874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1304   -0.0487   -0.6008 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2541    0.1327    1.0029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7661   -1.2311   -0.2514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7615    1.1770   -0.4479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7079    0.0393    0.4206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0623   -1.1867    0.2620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0575    1.2213    0.0657 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0933    0.0867    0.9706 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8664   -1.0462   -1.1448 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8845    0.7066   -1.3537 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2016    0.9343    0.5032 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1702   -0.8177    0.6779 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6569   -0.7808    1.2136 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6477    0.9739    1.0247 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4094    0.7222   -1.8740 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4047   -1.0220   -1.7302 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3629   -0.9754   -0.6060 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3381    0.7754   -0.8274 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2590    0.0915    0.5713 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1451    1.0923    1.5183 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1698   -0.6677    1.7448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2710   -2.1907   -0.3696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2627    2.1029   -0.7200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5589   -2.1144    0.5337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5507    2.1826    0.1834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8228    0.0200    0.1574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2697   -0.7385    1.6690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2677    1.0163    1.5231 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2  4  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3  5  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4  6  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5  7  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 11  1  0  0  0  0
  8 27  1  0  0  0  0
  9 12  2  0  0  0  0
  9 28  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-03-17, 163👍, 0💬